Advanced Polymer Characterization: Modular Operations for Spectral Alignment by Iterative Compression (MOSAIC)

Matrix-assisted laser desorption/ionization (MALDI) mass spectrometry encodes structural information across diverse homo- and copolymer ensembles, yet decrypting these spectra requires a systematic analytical approach. We introduce Modular Operations for Spectral Alignment by Iterative Compression (...

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Vydané v:ACS macro letters Ročník 14; číslo 8; s. 1094
Hlavní autori: Wang, Hanlin M, Suslick, Benjamin A, Lundberg, David J, Lessard, Jacob J, Xu, Zhenchuang, Choy, Mary A, Johnson, Jeremiah A, Moore, Jeffrey S
Médium: Journal Article
Jazyk:English
Vydavateľské údaje: United States 19.08.2025
ISSN:2161-1653, 2161-1653
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Popis
Shrnutí:Matrix-assisted laser desorption/ionization (MALDI) mass spectrometry encodes structural information across diverse homo- and copolymer ensembles, yet decrypting these spectra requires a systematic analytical approach. We introduce Modular Operations for Spectral Alignment by Iterative Compression (MOSAIC)─a general cipher algorithm that applies modular arithmetic to filter monomer-derived mass contributions and cluster MALDI peaks by nonconstitutional repeating units (non-CRUs). MOSAIC performs sequential modular operations using monomer mass differences as base units to compress complex spectral data, revealing end-group distributions and comonomer incorporation. As a demonstration, we applied MOSAIC to five copolymers formed by two different polymerization mechanisms. The resulting remainder-mass plots clearly resolve polymer homologs with distinct non-CRUs into visually apparent clusters, enabling intuitive assignment of mass spectral features.
Bibliografia:ObjectType-Article-1
SourceType-Scholarly Journals-1
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ISSN:2161-1653
2161-1653
DOI:10.1021/acsmacrolett.5c00385